CID 173262

9h-pyrido[3,4-b]indole-3-carboxylic acid

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)O
InChI
InChI=1S/C12H8N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-6,14H,(H,15,16)
InChIKey
ARLVFKCLBYUINL-UHFFFAOYSA-N
Compound name
9H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

708
Patents

212.05858 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06586 142.9
[M+Na]+ 235.04780 153.7
[M-H]- 211.05130 144.1
[M+NH4]+ 230.09240 161.6
[M+K]+ 251.02174 148.4
[M+H-H2O]+ 195.05584 136.2
[M+HCOO]- 257.05678 162.4
[M+CH3COO]- 271.07243 155.7
[M+Na-2H]- 233.03325 150.6
[M]+ 212.05803 143.4
[M]- 212.05913 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe